200,000+ products from a single source!
sales@angenechem.com
111098-24-9 | N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine
CAS No: 111098-24-9 Catalog No: AG01F85R MDL No:MFCD00956577
Product Description
Catalog Number:
AG01F85R
Chemical Name:
N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine
CAS Number:
111098-24-9
Molecular Formula:
C12H10N8
Molecular Weight:
266.2614
MDL Number:
MFCD00956577
IUPAC Name:
N-(benzotriazol-1-ylmethyl)-7H-purin-6-amine
InChI:
InChI=1S/C12H10N8/c1-2-4-9-8(3-1)18-19-20(9)7-17-12-10-11(14-5-13-10)15-6-16-12/h1-6H,7H2,(H2,13,14,15,16,17)
InChI Key:
NZNWZDWSTKVPNR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n(CNc1ncnc3c1nc[nH]3)nn2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.268g/mol
Monoisotopic Mass:
266.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.